# generated using pymatgen data_SnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50724570 _cell_length_b 6.50724570 _cell_length_c 14.60958300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999697 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnO2 _chemical_formula_sum 'Sn12 O24' _cell_volume 535.75085827 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.82453300 0.17546700 0.82561300 1.0 Sn Sn1 1 0.82453300 0.64906600 0.82561300 1.0 Sn Sn2 1 0.15834300 0.84165700 0.51402200 1.0 Sn Sn3 1 0.35093400 0.17546700 0.82561300 1.0 Sn Sn4 1 0.15834300 0.31668500 0.51402200 1.0 Sn Sn5 1 0.33333300 0.66666700 0.34272500 1.0 Sn Sn6 1 0.33333300 0.66666700 0.74342800 1.0 Sn Sn7 1 0.49690500 0.50309500 0.16147400 1.0 Sn Sn8 1 0.68331500 0.84165700 0.51402200 1.0 Sn Sn9 1 0.49690500 0.99381000 0.16147400 1.0 Sn Sn10 1 0.00619000 0.50309500 0.16147400 1.0 Sn Sn11 1 0.00000000 0.00000000 0.04402700 1.0 O O12 1 0.50233200 0.49766800 0.89085300 1.0 O O13 1 0.66666700 0.33333300 0.74778000 1.0 O O14 1 0.50233200 0.00466400 0.89085300 1.0 O O15 1 0.99533600 0.49766800 0.89085300 1.0 O O16 1 0.84166700 0.15833300 0.58089100 1.0 O O17 1 0.69566100 0.84783100 0.75451700 1.0 O O18 1 0.00000000 0.00000000 0.43239900 1.0 O O19 1 0.15216900 0.30433900 0.75451700 1.0 O O20 1 0.00000000 0.00000000 0.90534400 1.0 O O21 1 0.84166700 0.68333300 0.58089100 1.0 O O22 1 0.31666700 0.15833300 0.58089100 1.0 O O23 1 0.15216900 0.84783100 0.75451700 1.0 O O24 1 0.18941600 0.81058400 0.24185800 1.0 O O25 1 0.05055600 0.52527800 0.43297400 1.0 O O26 1 0.47472200 0.94944400 0.43297400 1.0 O O27 1 0.33333300 0.66666700 0.08596300 1.0 O O28 1 0.33333300 0.66666700 0.59945200 1.0 O O29 1 0.18941600 0.37883300 0.24185800 1.0 O O30 1 0.62116700 0.81058400 0.24185800 1.0 O O31 1 0.47472200 0.52527800 0.43297400 1.0 O O32 1 0.33894300 0.16947200 0.08783400 1.0 O O33 1 0.83052800 0.66105700 0.08783400 1.0 O O34 1 0.66666700 0.33333300 0.22220600 1.0 O O35 1 0.83052800 0.16947200 0.08783400 1.0